Work

Reactive molecular dynamics based multiaxial failure analysis of jennite

Year: 2025

Type: article

Abstract: Jennite is one of the key analogs to calcium silicate gel (C-S-H), the main contributor to cement paste’s cohesive strength, which helps in gluing natural aggregates into concrete. The primary role of the glue is to sustain externally applied mechanical loading, preventing the disintegration of concrete. Atomic bonds within the glue are the ultimate receptors of these loads. In this study, the multiaxial failure mechanism of the C-S-H at the nanoscale has been investigated within the framework of molecular dynamics simulation. we have adopted jennite as a simpler representative of C-S-H gel to study the response under uni/multi-axial deformation and the underlying mechanism of failures. The major two mechanisms are the separation of calcium silicate layers and the breakage of covalent silicate chains. The study also presents an ellipsoidal yield surface of failure captured at the molecular scale.

Source: Materialia

DOI: 10.1016/j.mtla.2025.102368

Authors: Prodip Kumar Sarkar, Nilanjan Mitra, Jorge S. Dolado

Institutions: Consejo Superior de Investigaciones Científicas, Material Physics Center, Johns Hopkins University, Hopkins Extreme Materials Institute, Donostia International Physics Center

Language: English

Topic: Concrete and Cement Materials Research

Subfield: Civil and Structural Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $2,400

Funder: European Commission